SCHEMBL5034767

SCHEMBL5034767

COc1ccccc1-c1ccc2c(c1C(=O)C(=O)c1ccc(C(C)(C)C)cc1)C(C)=CC(C)(C)N2C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.47
TSHR P16473 5/20 0.47
MAPK1 P28482 3/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 6/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5034768 0.84 NPSR1 (0.44) NPSR1TSHRMAPK1USP2KMT2A
SCHEMBL5034770 0.84 NPSR1 (0.43) NPSR1TSHRMAPK1USP2KMT2A
SCHEMBL12236721 0.73 NPSR1 (0.53) NPSR1TSHRMAPK1USP2KMT2A
SCHEMBL2395888 0.71 NPSR1 (0.49) NPSR1TSHRMAPK1USP2KMT2A
SCHEMBL13925444 0.66 NPSR1 (1.00) NPSR1TSHRMAPK1USP2KMT2A
SCHEMBL5040550 0.65 NPSR1 (0.48) NPSR1TSHRMAPK1USP2KMT2A
SCHEMBL448931 0.64 NR3C1 (0.44)
SCHEMBL13727140 0.64 NPSR1 (0.80) NPSR1TSHRMAPK1USP2KMT2A
SCHEMBL2395836 0.64 MKNK1 (0.43) NPSR1TSHRMAPK1USP2LMNA
SCHEMBL12236725 0.64 LMNA (0.37) NPSR1TSHRMAPK1USP2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed